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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03273657

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LANLANOSTEROLA1W6K0.81
VDA(1R,2R,3R,5Z)-17-{(1S)-1-[(2-ethyl-
2-hydroxybutyl)sulfanyl]ethyl}-
2-(2-hydroxyethoxy)-9,10-secoestra-
5,7,16-triene-1,3-diol
A2ZL90.75
JB1(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-
1-[(2R,3S)-3-(2-hydroxyethyl)heptan-
2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-
1H-inden-4-ylidene]ethylidene]-
4-methylidene-cyclohexane-1,3-diol
A2ZXM0.75
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.79
VD3(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-
7A-METHYL-1-[(2R)-6-METHYLHEPTAN-
2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-
INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-
CYCLOHEXAN-1-OL
A2GJ50.78
VD3(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-
7A-METHYL-1-[(2R)-6-METHYLHEPTAN-
2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-
INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-
CYCLOHEXAN-1-OL
A,B3C6G0.78
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.74
VD4(1R,3R,7E,17Z)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol
A2O4J0.72
TESTESTOSTERONEA1JTV0.74
TESTESTOSTERONEA2Q7L0.74
TESTESTOSTERONEA2Q7I0.74
TESTESTOSTERONEA,B1J960.74
TESTESTOSTERONEA2Q7K0.74
TESTESTOSTERONEA,B1Q130.74
TESTESTOSTERONEH1I9J0.74
TESTESTOSTERONEA,B1AFS0.74
TESTESTOSTERONEH1VPO0.74
TESTESTOSTERONEA2Q7J0.74
TESTESTOSTERONEA,B3BUR0.74
TESTESTOSTERONEA2AM90.74
BIV21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-
TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-
4-METHYLPENTYL)-, (1A,3B,5Z,7E)
A2HCD0.72
VD15-{2-[1-(1-METHYL-PROPYL)-7A-METHYL-
OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-
2-METHYLENE-CYCLOHEXANE-1,3-DIOL
A1RKG0.73
VDB(1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2-
ethyl-2-hydroxybutyl)sulfanyl]ethyl}-
2-(2-hydroxyethoxy)-9,10-secoestra-
5,7,16-triene-1,3-diol
A2ZLA0.75
CO117-[3-(3,3-DIMETHYL-OXIRANYL)-1-
METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-
3-OL
A,B1P8D0.82
HC220-HYDROXYCHOLESTEROLA1ZHW0.86
JC1(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-
1-[(2S,3S)-3-(2-hydroxyethyl)heptan-
2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-
1H-inden-4-ylidene]ethylidene]-
4-methylidene-cyclohexane-1,3-diol
A2ZXN0.75
EB1SEOCALCITOLA1S0Z0.7
HC325-HYDROXYCHOLESTEROLA1ZHX0.86
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZBZ0.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RK30.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1DB10.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE90.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2HC40.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A2ZLC0.74
VDX5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A3CV90.74
1CADESOXYCORTICOSTERONEA,B1Y9R0.71
1CADESOXYCORTICOSTERONEA,B,C2ABI0.71
1CADESOXYCORTICOSTERONEA2Q3Y0.71
1CADESOXYCORTICOSTERONEA2AA70.71
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.8
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.8
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.8
V2H(1S,3R,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraene-1,3-diol
A,B3DL90.72
ERGERGOSTEROLA1BXM0.85
ERGERGOSTEROLA1ZHZ0.85
ERGERGOSTEROLA,B2AIB0.85
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.76
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.74
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,B1J780.79
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,D1MZ90.79
KH15-(2-{1-[1-(4-ETHYL-4-HYDROXY-HEXYLOXY)-
ETHYL]-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE}-ETHYLIDENE)-4-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1IE80.71
D2V(3S,5Z,7E,22E)-9,10-secoergosta-
5,7,10,22-tetraen-3-ol
A,B3CZH0.77
CLRCHOLESTEROLA,B2ZXE0.88
CLRCHOLESTEROLA1N830.88
CLRCHOLESTEROLA2RH10.88
CLRCHOLESTEROLA1LRI0.88
CLRCHOLESTEROLA1ZHY0.88
CLRCHOLESTEROLA3D4S0.88
HCR7-HYDROXYCHOLESTEROLA1ZHT0.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.78
MVD2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-
VITAMIN D3
A2HB80.74
VDZ5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYLENE-
CYCLOHEXANE-1,3-DIOL
A1RJK0.74
O1C2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25-
DIHYDROXYVITAMIN D3
A2HB70.73
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.74
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.74
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.74
VD5(1R,3R,7E,17E)-17-(5-hydroxy-1,5-
dimethylhexylidene)-2-methylene-
9,10-secoestra-5,7-diene-1,3-diol
A2O4R0.72